7-chloro-1-(oxan-3-yl)benzimidazol-2-amine

C12H14ClN3O — CID 63363887

IUPAC7-chloro-1-(oxan-3-yl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1C1CCCOC1
InChIInChI=1S/C12H14ClN3O/c13-9-4-1-5-10-11(9)16(12(14)15-10)8-3-2-6-17-7-8/h1,4-5,8H,2-3,6-7H2,(H2,14,15)
InChIKeyNQHYCIOPIZVITL-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.62
Rot. Bonds1

About 7-chloro-1-(oxan-3-yl)benzimidazol-2-amine

7-chloro-1-(oxan-3-yl)benzimidazol-2-amine (PubChem CID 63363887) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 7-chloro-1-(oxan-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(oxan-3-yl)benzimidazol-2-amine
PubChem CID63363887
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name7-chloro-1-(oxan-3-yl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1C1CCCOC1
InChIInChI=1S/C12H14ClN3O/c13-9-4-1-5-10-11(9)16(12(14)15-10)8-3-2-6-17-7-8/h1,4-5,8H,2-3,6-7H2,(H2,14,15)
InChIKeyNQHYCIOPIZVITL-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582
7-chloro-1-(1,1-dioxothian-4-yl)benzimidazol-2-amine
CID 43662181
7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine
CID 156742611
7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82728859
7-chloro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546773
5-iodo-1-(oxan-3-yl)benzimidazol-2-amine
CID 66081998
7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine
CID 62366094
1-cyclobutyl-7-fluorobenzimidazol-2-amine
CID 84778426
7-methyl-1-(oxan-4-yl)benzimidazol-2-amine
CID 113333969
7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine
CID 43662069
2-amino-3-(oxan-3-yl)benzimidazole-5-carbonitrile
CID 104715045
7-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117206304

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(oxan-3-yl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(oxan-3-yl)benzimidazol-2-amine (CID 63363887) is 7-chloro-1-(oxan-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(oxan-3-yl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(oxan-3-yl)benzimidazol-2-amine is Nc1nc2cccc(Cl)c2n1C1CCCOC1.
What is the InChIKey of 7-chloro-1-(oxan-3-yl)benzimidazol-2-amine?
The InChIKey is NQHYCIOPIZVITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-9-4-1-5-10-11(9)16(12(14)15-10)8-3-2-6-17-7-8/h1,4-5,8H,2-3,6-7H2,(H2,14,15).
What are the key properties of 7-chloro-1-(oxan-3-yl)benzimidazol-2-amine?
7-chloro-1-(oxan-3-yl)benzimidazol-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(oxan-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 63363887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).